1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione
TL;DR: 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione (CAS 5533-81-3) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione
Also Known As: 6-(Benzoylacetyl)-1,4-benzodioxan, AB00097163-01, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione, 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-phenylpropane-1,3-dione, 1,3-propanedione, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.9135 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 676.4444 |
Chemical Identifiers
| CAS Number | 5533-81-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CC(=O)C3=CC=CC=C3 |
Product Overview
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione (CAS 5533-81-3), with molecular formula C17H14O4 and molecular weight 282.09 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione.
Chemical Property Profile of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione
Property Insights of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione
The XLogP value of 2.9135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione?
The CAS number of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione is 5533-81-3.
What is the molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione?
The molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione is C17H14O4.
What is the molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione?
The molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione is 282.09 g/mol.
Where can I buy 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione?
You can request a quote for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-phenylpropane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.